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Chemical graph theory has revolutionary impacts in the field of mathematical chemistry when complex structures are investigated through various chemical invariants (topological indices). We have performed evaluations by considering alternatives as crystal structures, namely Face-Centered Cubic (FCC), hexagonal close-packed (HCP), Hexagonal (HEX), and Body Centered Cubic (BCC) Lattice structures, through the study of two-dimensional degree-based chemical invariants, which we considered criteria. QSPR modeling has been implemented for the targeted crystal structures to investigate the ability of targeted chemical invariants to predict targeted physical properties. Furthermore, the Fuzzy-TOPSIS technique provides the optimal structure HCP ranking as first among all structures when investigated under more than one criterion, which justifies further that the structure attaining dominant countable invariant values ranks high when investigated through physical properties and fuzzy TOPSIS.Communicated by Ramaswamy H. Sarma.
Assuntos
Relação Quantitativa Estrutura-AtividadeRESUMO
This paper explains the idea of t-intuitionistic fuzzy graphs as a powerful way to analyze and display relationships that are difficult to understand. The article also illustrates the ability of t-intuitionistic fuzzy graphs to establish complex relationships with multiple factors or dimensions of a physical situation under consideration. Moreover, the fundamental set operations of t-intuitionistic fuzzy graphs are proposed. The notions of homomorphism and isomorphism of t-intuitionistic fuzzy graphs are also introduced. Furthermore, the paper highlights a practical application of the proposed technique in the context of poverty reduction within a specific society. By employing t-intuitionistic fuzzy graphs, the research demonstrates the potential to address the multifaceted nature of poverty, considering various contributing factors and their interdependencies. This application showcases the versatility and effectiveness of t-intuitionistic fuzzy graphs as a tool for decision-making and policy planning in complex societal issues.
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Protection of sensitive information has been always the major security concern since decades to withstand against illegitimate access and usage. Substitution-boxes (S-boxes) are vital components of any modern day cryptographic system that allows us to ensure its resistance to attacks. The prime problem with creating S-box is that we are generally unable to discover a consistent distribution among its numerous features to withstand diverse cryptanalysis attacks. The majority of S-boxes investigated in the literature has good cryptographic defenses against some attacks but are susceptible to others. Keeping these considerations in mind, this paper proposes a novel approach for S-box design based on a pair of coset graphs and a newly defined operation of row and column vectors on a square matrix. Several standard performance assessment criteria are used to evaluate the reliability of proposed approach, and the results demonstrate that the developed S-box satisfies all criterions for being robust for secure communication and encryption.
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Counting Polynomial is the mathematical function that was initially introduced for application in chemistry in 1936 by G. Polya. Partitioning of graphs can be seen in the coefficients of these mathematical functions, which also reveal the frequency with which these partitions happen. We developed a novel and efficient method for constructing the necessary counting polynomials for a zigzag-edge coronoid formed by the fusion of a Starphene graph and a Kekulenes graph. The study's methods expand our knowledge, and its findings potentially provide insight on the topology of these chemical structures.
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Every year, various experiments emerge in which a strong link between topological chemical structures and their properties is found. These properties are numerous such as melting point, boiling point, and drug toxicity. Topological index is the functional tool to determine these properties. This research paper will analyze some of the molecular drug structures, i.e., hyaluronic acid-paclitaxel conjugates G n , anticancer drug SP[n], polyomino chain of n-cycle Z n , triangular benzenoid T n , and circumcoronene benzenoid series H k using multicriteria decision-making techniques including TOPSIS and SAW. The topological indices used in this research paper include the Randic index for α = 1, -1, 1/2, the augmented Zagreb index and the forgotten topological index.
